Results 171 to 180 of about 28,553 (218)

Structural and electronic studies of metal carbide clusterfullerene Sc2C2@Cs–C72

Nanoscale, 2013
We present a metal carbide clusterfullerene Sc2C2@Cs(10528)-C72, whose structure has been baffling for many years. A motional endohedral Sc2C2 cluster, special molecule geometry and electronic structure were found in Sc2C2@Cs(10528)-C72. The paramagnetic Sc2C2@Cs-C72 anion radical was successfully prepared by a chemical reduction method and hyperfine ...
Yongqiang Feng, Taishan Wang, Jingyi Wu, Lai Feng, Junfeng Xiang, Yihan Ma, Zhuxia Zhang, Li Jiang, Chunying Shu, Chunru Wang   +9 more
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C72: Gestion des sarcomes phyllodes : Une étude rétrospective de 12 cas

African Journal of Oncology, 2022
INTRODUCTION : Les sarcomes phyllodes sont rares. Il n'y a pas assez de données pour codifier la prise en charge. L'objectif était d'étudier les aspects cliniques et thérapeutiques et le devenir des patients après un suivi d'au moins de quatre ans et de contribuer ainsi au corpus limité de connaissances sur ces tumeurs.
EMM Diallo, JC Ndiaye, AEH Dia, S Huchard, NF Kane Ba, E Lionel, H Rachidou, M Frederique, K Ka, MM Dieng, PM Gaye   +10 more
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Energy spectrum and spectrum of optical absorption of endohedral fullerene Ca@C72

The Physics of Metals and Metallography, 2014
The energy spectrum of the fullerene C72 has been calculated in terms of the Shubin-Vonsovskii-Hubbard model. Based on this spectrum, the spectrum of the optical absorption of the endohedral fullerene Ca@C72 has been calculated. The spectrum of the optical absorption agrees well with the experimental data. This suggests that all absorption bands in the
А. И. Мурзашев, T. Nazarova
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C72 (or C120) cluster growth from C36 (or C60) clusters

Journal of Molecular Structure: THEOCHEM, 2007
Abstract We suggest fabricating larger clusters of equal size by dimerizing smaller ones, and performed molecular dynamics simulations with Brenner potential on C72 (or C120) cluster growth from C36 (or C60) clusters in He atmosphere at temperatures between 100 and 4000 K, showing that the resultant clusters may be dumbbell, pod or ball shape ...
Yin Wang, Jun Zhuang, Mei-Zhong Ma, Xi-Jing Ning   +3 more
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Missing metallofullerene Yb@C72: A density functional theory survey

Chemical Physics, 2013
Abstract With density functional theory calculations, Yb@C 72 isomers are determined to utilize two fullerene cages violating the isolated pentagon rule. Both endohedral fullerenes show high thermodynamic stability in fullerene formation temperature region.
Tao Yang, Xiang Zhao
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C72: A novel low energy and direct band gap carbon phase

Physics Letters A, 2020
Abstract A novel carbon phase C72 was predicted by using recently developed particle-swarm optimization method on crystal structural search. The structure, mechanical, and electronic properties of the predicted C72 were investigated by performing the first-principles calculations based on density functional theory in this work.
Jian-Li Ma, Dan-Li Song, Yi-Long Wu, Zhi-Fen Fu, Jian-Ping Zhou, Peng Liu, Xuan-min Zhu, Qun Wei   +7 more
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Isolation and Characterization of a New Isomer of Ca@C72

Chemistry Letters, 2004
Abstract We isolated a new (second) isomer of Ca@C72. As a result of this discovery, it was confirmed that at least one of the two Ca@C72 isomers has a C72 cage that does not satisfy the so-called isolated pentagon rule (IPR), because C72 has only one IPR cage structure.
Takafumi Ichikawa, Takeshi Kodama, Shinzo Suzuki, Ryosuke Fujii, Hiroyuki Nishikawa, Isao Ikemoto, Kôichi Kikuchi, Yohji Achiba   +7 more
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Geometric and electronic structures of non-IPR metallofullerene La@C72

Journal of Molecular Structure: THEOCHEM, 2007
Abstract The geometric and electronic structures of non-IPR metallofullerenes La@C 72 were studied using density functional theory. The geometric optimization show that among four possible configurations for La@C 72 , the most favorable endohedral position is off-center site along the C 2 axis in α plane pointing to the 5, 5 bond, the fusion of ...
Xuguang Liu, Mei Chi, Peide Han, Zhuxia Zhang, Xiaohong Fang, Wei Jia, Bingshe Xu   +6 more
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C72 isomers: the IPR-satisfying cage is disfavored by both energy and entropy

Chemical Physics Letters, 2004
Abstract Relative concentrations of seven isomeric C 72 cages (one species with isolated pentagons, two isomers with a pentagon–pentagon junction, a cage with a heptagon, a cage with two heptagons, and two isomers each with two pentagon–pentagon fusions) are computed using the Gibbs energy in a broad temperature interval.
Zdeněk Slanina, Kazuya Ishimura, Kaoru Kobayashi, Shigeru Nagase   +3 more
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Abstract C72: A mechanistic link between whole-chromosome aneuploidy and DNA damage

Cancer Research, 2009
Abstract Cancer is associated with aneuploidy— both structural defects in chromosomes and abnormal numbers of intact chromosomes. The contribution of chromosome breaks to tumorigenesis is well accepted because of the possibility of generating cancer-causing mutations.
Karen Crasta, Luigi Nezi, Morgan Hennessy, Lisa Cameron, Yunfeng Pan, Dipanjan Chowdhury, David Pellman   +6 more
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